(25R)-3beta-[(4-O-beta-D-Glucopyranosyl-beta-D-Galactopyranosyl)Oxy]-5alpha-Spirostan-12-One
[CAS# 56857-66-0]

Identification

• Name: (25R)-3beta-[(4-O-beta-D-Glucopyranosyl-beta-D-Galactopyranosyl)Oxy]-5alpha-Spirostan-12-One
• Synonyms: Spirostan-12-One, 3-((4-O-Beta-D-Glucopyranosyl-Beta-D-Galactopyranosyl)Oxy)-, (3-Beta,5-Alpha,25R)-
• Molecular Formula: C₃₉H₆₂O₁₄
• Molecular Weight: 754.91
• CAS Registry Number: 56857-66-0
• SMILES: [C@]57([C@H]([C@H]1[C@@H]([C@@]4([C@@H](CC1)C[C@@H](O[C@@H]3O[C@@H]([C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)[C@H](O)[C@H]3O)CO)CC4)C)CC5=O)C[C@@H]8OC6(OC[C@@H](CC6)C)[C@H]([C@H]78)C)C
• InChI: 1S/C39H62O14/c1-17-7-10-39(48-16-17)18(2)28-24(53-39)12-23-21-6-5-19-11-20(8-9-37(19,3)22(21)13-27(42)38(23,28)4)49-35-33(47)31(45)34(26(15-41)51-35)52-36-32(46)30(44)29(43)25(14-40)50-36/h17-26,28-36,40-41,43-47H,5-16H2,1-4H3/t17-,18+,19+,20+,21-,22+,23+,24+,25-,26-,28+,29-,30+,31-,32-,33-,34+,35-,36+,37+,38-,39?/m1/s1
• InChIKey: YEKZYRCPUZIPAI-IEBUPIFISA-N

Properties

• Density: 1.4g/cm³ (Cal.)
• Boiling point: 892.194°C at 760 mmHg (Cal.)
• Flash point: 268.913°C (Cal.)